SCHEMBL408206

SCHEMBL408206

CC(C)(C)c1cn2c(n1)CCC(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
NOTUM Q6P988 9/20 0.34
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
S1PR1 P21453 4/20 0.33
S1PR5 Q9H228 4/20 0.33
S1PR4 O95977 3/20 0.33
S1PR3 Q99500 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25170463 0.82 KDM4E (0.43) P2RX7KMT2AKDM4EHSD17B10MEN1
SCHEMBL407432 0.78 KDM4E (0.38) P2RX7KMT2AKDM4EHSD17B10MEN1
Hydrochloric Acid SCHEMBL441936 0.77 KDM4E (0.38) P2RX7KMT2AKDM4EHSD17B10MEN1
SCHEMBL463267 0.74 WDR5 (0.52) P2RX7KMT2AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL440262 0.73 WDR5 (0.51) P2RX7KMT2AKDM4EMEN1ALDH1A1
SCHEMBL8985233 0.69 ADRA1A (0.53) KDM4ENOTUMGABRPGABRDGABRA1
SCHEMBL17338866 0.69 PDPK1 (0.41) KMT2AKDM4EHSD17B10MEN1ALDH1A1
Hydrochloric Acid SCHEMBL31132960 0.68 ADRA1A (0.51) KDM4ENOTUMGABRPGABRDGABRA1
SCHEMBL31133117 0.66 NOTUM (0.37) KMT2AKDM4EHSD17B10MEN1ALDH1A1
SCHEMBL10064767 0.64 LMNA (0.53) P2RX7KMT2AKDM4EHSD17B10ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT P2RX7 4406/4885KMT2A 667/4885KDM4E 2452/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.